Vitas-M small molecule compound
4-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STL249605
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1c(C)nn(c1C)C1CCS(=O)(=O)C1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H21N5O3S2 MW 395.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5O3S2/c1-8-14-15(25-6-12(22)17-16(14)19-18-8)13-9(2)20-21(10(13)3)11-4-5-26(23,24)7-11/h11,15H,4-7H2,1-3H3,(H2,17,18,19,22)InChIKey
WPUUWQNTEVQVJJ-UHFFFAOYSA-NSynonyms
1401573-28-11401573281
4(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(1(11dioxothiolan3yl)35dimethylpyrazol4yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=C2C(SCC(=O)N=C2NN1)C3=C(N(N=C3C)C4CCS(=O)(=O)C4)C
InChI=1SC16H21N5O3S2c181415(25612(22)1716(14)19188)139(2)2021(10(13)3)114526(2324)711h1115H47H213H3(H217181922)
MFCD24861580
OC1=Nc2(nH)nc(c2C(SC1)c1c(C)nn(c1C)C1CCS(=O)(=O)C1)C
ZINC000079495741
ZINC000079495747
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